4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide

C14H14F4N4O2S — CID 53389268

IUPAC4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F
InChIInChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
InChIKeyRAGBVAFIIJNDRZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.52
Rot. Bonds3

About 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide

4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide (PubChem CID 53389268) has the molecular formula C14H14F4N4O2S and a molecular weight of 378.35 g/mol. Its IUPAC name is 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
PubChem CID53389268
Molecular FormulaC14H14F4N4O2S
Molecular Weight378.35 g/mol
Exact Mass378.08
IUPAC Name4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F
InChIInChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
InChIKeyRAGBVAFIIJNDRZ-UHFFFAOYSA-N
XLogP2.52
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-Bromoethyl)triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide
CID 118711622
4-[4-(3-Chloropropyl)triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide
CID 118711623
4-[4-(Anilinomethyl)triazol-1-yl]benzenesulfonamide
CID 134131659
4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577804
4-(4-o-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 25071013
4-(4-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577574
4-(4-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577576
4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577800
4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577801
4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577802
4-{1-[4-(aminosulfonyl)phenyl]-1H-1,2,3-triazol-4-yl}benzenesulfonamide
CID 44577803
4-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-1H-[1,2,3]triazole
CID 44581931

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide?
The IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide (CID 53389268) is 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide?
The canonical SMILES for 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(-n2cc(C3CCCCC3)nn2)c(F)c1F.
What is the InChIKey of 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide?
The InChIKey is RAGBVAFIIJNDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24).
What are the key properties of 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide?
4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide has a molecular weight of 378.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyltriazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 53389268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).